[gmx-users] Pre-equilibrated CHARMM lipid bilayers

James Starlight jmsstarlight at gmail.com
Thu Dec 20 11:37:25 CET 2012


what errors might occurs if I've missed -nochargegrp option while
parametrising  my protein by means of pdb2gmx?


2012/12/20 Peter C. Lai <pcl at uab.edu>:
> (As a side note, Gromacs shouldn't use charge groups when using
> all-atom charmm forcefields.)

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